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CHEBI:96322 - 3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

ChEBI IDCHEBI:96322
ChEBI Name3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile
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FormulaC28H31N5O3
Net Charge0
Average Mass485.588
Monoisotopic Mass485.24269
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2cccnc2)Oc2ncc(-c3cccc(C#N)c3)cc2C1=O
InChIInChI=1S/C28H31N5O3/c1-19-15-33(20(2)18-34)28(35)25-11-24(23-8-4-6-21(10-23)12-29)14-31-27(25)36-26(19)17-32(3)16-22-7-5-9-30-13-22/h4-11,13-14,19-20,26,34H,15-18H2,1-3H3/t19-,20+,26+/m0/s1
InChIKeyZNOUXTLFAUQIIE-OUDXUNEISA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile (CHEBI:96322) is a phenylpyridine (CHEBI:38193)
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